SCHEMBL4737248

SCHEMBL4737248

Cc1cccc(-c2cccc3c2nnn3O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ENPP1 P22413 1/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA2 P47869 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4623671 0.82 POLB (0.48) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL2670682 0.73 POLB (0.48) ALDH1A1KMT2AMEN1POLBMAPK1
SCHEMBL9268431 0.71 MAPK1 (0.47) ALDH1A1KMT2AMEN1POLBMAPK1
SCHEMBL1643503 0.71 ENPP1 (0.41) ALDH1A1L3MBTL1KMT2AENPP1POLB
Benzotriazole SCHEMBL7192841 0.70 POLB (0.43) POLBMAPK1ATMMAPTMET
SCHEMBL30125360 0.69 ENPP1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1ENPP1
SCHEMBL241394 0.69 ENPP1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1ENPP1
SCHEMBL28414965 0.68 ACHE (0.55) ALDH1A1KMT2AMAPK1NPC1RAB9A
SCHEMBL378660 0.68 POLB (0.50) ALDH1A1L3MBTL1KMT2APOLBMAPK1
SCHEMBL24689747 0.66 ACHE (0.52) ALDH1A1KMT2AMEN1ENPP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021065895-A1 SUNSCREEN COSMETIC 花王株式会社 2021-04-08 WO disclosed
WO-2020130011-A1 WATER-IN-OIL EMULSION COSMETIC COMPOSITION FOR SUNSCREEN 花王株式会社 2020-06-25 WO disclosed
WO-2020054827-A1 WATER-IN-OIL COMPOSITION FOR EXTERNAL APPLICATION TO SKIN 株式会社 資生堂 2020-03-19 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed
WO-2004071481-A1 MELANOGENESIS INHIBITOR AND SKIN PREPARATION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-26 WO disclosed